| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
D |
47 |
16 |
3712 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
3711 |
478.4 |
-5.4 |
0.302 |
7 |
1 |
0 |
0.174 |
2 |
|
B |
41 |
14 |
3573 |
◊ |
A |
x,y,z |
1_555 |
42 |
17 |
3647 |
408.7 |
-7.5 |
0.091 |
6 |
0 |
0 |
0.174 |
| Average: |
443.5 |
-6.4 |
0.197 |
7 |
1 |
0 |
0.174 |
| 2 |
3 |
|
C |
37 |
9 |
3711 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
3647 |
330.3 |
-5.8 |
0.260 |
0 |
0 |
0 |
0.049 |
| 3 |
4 |
|
C |
34 |
11 |
3711 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
9 |
3647 |
290.6 |
-1.4 |
0.644 |
4 |
0 |
0 |
0.125 |
| 4 |
5 |
|
C |
27 |
9 |
3711 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
10 |
3647 |
250.7 |
-0.5 |
0.682 |
2 |
4 |
0 |
0.015 |
| 5 |
6 |
|
D |
27 |
9 |
3712 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
8 |
3573 |
244.1 |
-0.1 |
0.713 |
4 |
4 |
0 |
0.163 |
| 6 |
7 |
|
A |
24 |
9 |
3647 |
◊ |
B |
x,y-1,z |
1_545 |
26 |
8 |
3573 |
243.2 |
1.9 |
0.898 |
6 |
4 |
0 |
0.000 |
| 7 |
8 |
|
C |
11 |
5 |
3711 |
◊ |
D |
x,y-1,z |
1_545 |
24 |
7 |
3712 |
206.1 |
-1.8 |
0.358 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
D |
13 |
3 |
3712 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
5 |
3573 |
114.3 |
-0.5 |
0.616 |
0 |
0 |
0 |
0.004 |
| 9 |
10 |
|
D |
9 |
4 |
3712 |
x |
D |
x-1,y,z |
1_455 |
7 |
2 |
3712 |
76.0 |
-1.2 |
0.389 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
C |
5 |
3 |
3711 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
3 |
3573 |
62.7 |
-0.2 |
0.551 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[CL]C:1065 |
1 |
1 |
125 |
f |
A |
x,y,z-1 |
1_554 |
8 |
4 |
3647 |
56.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.308 |
| 12 |
13 |
|
[CL]D:1065 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
3712 |
49.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.837 |
14 |
|
[CL]D:1065 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
3573 |
48.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.837 |
| Average: |
48.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.837 |
| 13 |
15 |
|
[CL]C:1065 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
3711 |
45.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.199 |
| 14 |
16 |
|
[NA]C:1066 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
3711 |
42.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.168 |
| 15 |
17 |
|
B |
1 |
1 |
3573 |
x |
B |
x-1,y,z |
1_455 |
5 |
2 |
3573 |
37.3 |
-1.0 |
0.153 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
D |
2 |
2 |
3712 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
3647 |
32.5 |
1.0 |
0.775 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
1 |
1 |
3711 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3573 |
2.9 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
| Average: |
17.7 |
0.5 |
0.758 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[ZN]C:65 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
3712 |
32.3 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.757 |
21 |
|
[ZN]C:65 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
3711 |
32.2 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.757 |
22 |
|
[ZN]A:65 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
3647 |
32.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.757 |
23 |
|
[ZN]A:65 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
3573 |
32.0 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.757 |
| Average: |
32.1 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.757 |
| 18 |
24 |
|
C |
6 |
2 |
3711 |
◊ |
[NA]A:1065 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
28.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.200 |
25 |
|
[NA]A:1065 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
3647 |
22.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.200 |
| Average: |
25.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.200 |
| 19 |
26 |
|
[NA]C:1066 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
3647 |
26.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
| 20 |
27 |
|
D |
3 |
1 |
3712 |
◊ |
C |
x-1,y+1,z |
1_465 |
5 |
2 |
3711 |
17.7 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
C |
2 |
1 |
3711 |
◊ |
[NA]C:1066 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
16.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
C |
3 |
2 |
3711 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
3573 |
16.2 |
-0.7 |
0.231 |
0 |
0 |
0 |
0.009 |
30 |
|
D |
2 |
1 |
3712 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
3647 |
11.4 |
-0.5 |
0.216 |
0 |
0 |
0 |
0.009 |
| Average: |
13.8 |
-0.6 |
0.223 |
0 |
0 |
0 |
0.009 |
| 23 |
31 |
|
D |
1 |
1 |
3712 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3573 |
6.3 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.001 |
| 24 |
32 |
|
A |
1 |
1 |
3647 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
3647 |
4.8 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
33 |
|
C |
1 |
1 |
3711 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
3711 |
0.9 |
0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
| Average: |
2.9 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
D |
1 |
1 |
3712 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
3647 |
2.5 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
D |
1 |
1 |
3712 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
1 |
3573 |
0.8 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|